N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine

C20H24N2O5S — CID 30137390

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
SMILESCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N2O5S/c1-21(14-17-5-6-19-20(12-17)27-15-26-19)13-16-3-2-4-18(11-16)28(23,24)22-7-9-25-10-8-22/h2-6,11-12H,7-10,13-15H2,1H3
InChIKeySLNHHEXAOIULRV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.07
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine (PubChem CID 30137390) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
PubChem CID30137390
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
SMILESCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N2O5S/c1-21(14-17-5-6-19-20(12-17)27-15-26-19)13-16-3-2-4-18(11-16)28(23,24)22-7-9-25-10-8-22/h2-6,11-12H,7-10,13-15H2,1H3
InChIKeySLNHHEXAOIULRV-UHFFFAOYSA-N
XLogP2.07
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
CID 162418217
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
CID 51120749
1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium
CID 3439858
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-4-ylsulfonylbenzamide
CID 55622631
1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium chloride
CID 18532114
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine (CID 30137390) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine is CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine?
The InChIKey is SLNHHEXAOIULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(14-17-5-6-19-20(12-17)27-15-26-19)13-16-3-2-4-18(11-16)28(23,24)22-7-9-25-10-8-22/h2-6,11-12H,7-10,13-15H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine has a molecular weight of 404.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 30137390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).